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Efficient determination of protein-protein standard binding free energies from first principles
Characterizing protein-protein association quantitatively has been a longstanding challenge for computer simulations. Here, a theoretical framework is put forth that addresses this challenge on the basis of detailed all-atom molecular dynamics simulations with explicit solvent. The proposed methodol...
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| Main Authors: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2013
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3809040/ https://ncbi.nlm.nih.gov/pubmed/24179453 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct400273t |
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